CID 63621

Brn 4588636

Structural Information

Molecular Formula
C27H17Cl2N3O
SMILES
C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)N3C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C27H17Cl2N3O/c28-20-12-15-25(23(29)16-20)32-26(31-24-9-5-4-8-22(24)27(32)33)19-10-13-21(14-11-19)30-17-18-6-2-1-3-7-18/h1-17H
InChIKey
YIHDTRDZDWAHOH-UHFFFAOYSA-N
Compound name
2-[4-(benzylideneamino)phenyl]-3-(2,4-dichlorophenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.07486 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.08214 214.8
[M+Na]+ 492.06408 225.7
[M-H]- 468.06758 225.5
[M+NH4]+ 487.10868 222.1
[M+K]+ 508.03802 215.2
[M+H-H2O]+ 452.07212 200.9
[M+HCOO]- 514.07306 226.5
[M+CH3COO]- 528.08871 223.1
[M+Na-2H]- 490.04953 218.2
[M]+ 469.07431 219.4
[M]- 469.07541 219.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.